[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride

C12H23ClN2O2 — CID 119464992

IUPAC[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)C2CCCOC2)C1
InChIInChI=1S/C12H22N2O2.ClH/c13-7-10-3-1-5-14(8-10)12(15)11-4-2-6-16-9-11;/h10-11H,1-9,13H2;1H
InChIKeyQUFLJGFKNHIGBU-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.03
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride

[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride (PubChem CID 119464992) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride
PubChem CID119464992
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)C2CCCOC2)C1
InChIInChI=1S/C12H22N2O2.ClH/c13-7-10-3-1-5-14(8-10)12(15)11-4-2-6-16-9-11;/h10-11H,1-9,13H2;1H
InChIKeyQUFLJGFKNHIGBU-UHFFFAOYSA-N
XLogP1.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone
CID 62759775
[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone
CID 62759965
2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
CID 62759578
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
(4-aminopiperidin-1-yl)-(oxan-3-yl)methanone
CID 62760326
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595296
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
3-(aminomethyl)piperidine-1-carboxamide;hydrochloride
CID 119031368

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride (CID 119464992) is [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride is Cl.NCC1CCCN(C(=O)C2CCCOC2)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride?
The InChIKey is QUFLJGFKNHIGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c13-7-10-3-1-5-14(8-10)12(15)11-4-2-6-16-9-11;/h10-11H,1-9,13H2;1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119464992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).